General Information of the Compound
| Compound ID |
CP0491015
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| Compound Name |
5-(Cyclohexylmethoxy)-3-(3,4,5-trimethoxyphenyl)-4Hchromen-4-one
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| Structure |
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| Formula |
C25H28O6
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| Molecular Weight |
424.493
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| Canonical SMILES |
COc1ccc(c(OC)c1OC)-c1coc2cccc(OCC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C25H28O6/c1-27-21-13-12-17(24(28-2)25(21)29-3)18-15-31-20-11-7-10-19(22(20)23(18)26)30-14-16-8-5-4-6-9-16/h7,10-13,15-16H,4-6,8-9,14H2,1-3H3
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| InChIKey |
WXWMNLSDPLUBPN-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound